SCHEMBL30150546

CC(C)[C@H](N)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(=O)O)C(=O)O)C(C)C

nearest known ligand 0.52

Predicted protein targets (top 15)

	gene	UniProt	supporting neighbours	confidence
▸	GRB2	P62993	1/20	0.52

▸	CALCRL	Q16602	4/20	0.45

▸	ANPEP	P15144	1/20	0.43

▸	LNPEP	Q9UIQ6	1/20	0.43

▸	CMA1	P23946	2/20	0.43

▸	CAPN1	P07384	3/20	0.43

▸	AGTR2	P50052	3/20	0.41

▸	AGTR1	P30556	2/20	0.41

▸	XIAP	P98170	1/20	0.41

▸	DPP3	Q9NY33	1/20	0.41

▸	PRMT5	O14744	1/20	0.41

▸	WDR77	Q9BQA1	1/20	0.41

▸	SLC6A2	P23975	1/20	0.40

▸	OPRM1	P35372	1/20	0.39

▸	CTSB	P07858	1/20	0.39

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compound	similarity	top predicted	shared targets
SCHEMBL29641650	0.94	GRB2 (0.49)	GRB2CALCRLCMA1CAPN1AGTR2
SCHEMBL29641790	0.94	GRB2 (0.49)	GRB2CALCRLCMA1CAPN1AGTR2
SCHEMBL30307496	0.90	GRB2 (0.48)	GRB2CALCRLANPEPLNPEPCMA1
SCHEMBL29641795	0.86	CALCRL (0.60)	CALCRLCMA1AGTR2AGTR1SLC6A2
SCHEMBL29641646	0.85	GRB2 (0.48)	GRB2CALCRLCAPN1AGTR2AGTR1
SCHEMBL28463044	0.85	GRB2 (0.51)	GRB2CMA1XIAPDPP3SLC6A2
SCHEMBL28463049	0.85	GRB2 (0.51)	GRB2CMA1XIAPDPP3SLC6A2
SCHEMBL28463047	0.85	GRB2 (0.51)	GRB2CMA1XIAPDPP3SLC6A2
SCHEMBL29641778	0.84	XIAP (0.47)	GRB2CALCRLCMA1XIAPSLC6A2
SCHEMBL29641722	0.83	GRB2 (0.48)	GRB2CALCRLCMA1CAPN1AGTR2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

Patent	Title	Assignee	Published	Priority	Filing	Country	Status
US-20220409709-A1	LABYRINTHIN-BASED PEPTIDES FOR CANCER IMMUNOTHERAPIES AND USES THEREOF	LABYRX IMMUNOLOGIC THERAPEUTICS USA LTD (US)	2022-12-29	—	—	US	disclosed